Acta Cryst. (2010). E66, m642-m643  [ doi:10.1107/S1600536810016776 ]

Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato-³O²,N,O⁶)nickelate(II) trihydrate

Z. Derikvand and M. M. Olmstead

Online 15 May 2010

Key indicators

• Single-crystal X-ray study
• T = 90 K
• Mean (C-C) = 0.001 Å
• R factor = 0.027
• wR factor = 0.076
• Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  O1      ..       7.52 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  O4      ..       6.17 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  O5      ..       8.30 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  O8      ..       7.17 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  N1      ..       5.81 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  N2      ..       5.99 su   
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.53 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          8      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          3      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              H2 O                                                             
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        133      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.         22      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  13 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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